3-methoxy-1-propan-2-yloxypentan-2-one

C9H18O3 — CID 116707377

IUPAC3-methoxy-1-propan-2-yloxypentan-2-one
SMILESCCC(OC)C(=O)COC(C)C
InChIInChI=1S/C9H18O3/c1-5-9(11-4)8(10)6-12-7(2)3/h7,9H,5-6H2,1-4H3
InChIKeyZDCLXWLHLKNIHV-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.41
Rot. Bonds6

About 3-methoxy-1-propan-2-yloxypentan-2-one

3-methoxy-1-propan-2-yloxypentan-2-one (PubChem CID 116707377) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-methoxy-1-propan-2-yloxypentan-2-one.

Molecular Properties

Compound Name3-methoxy-1-propan-2-yloxypentan-2-one
PubChem CID116707377
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name3-methoxy-1-propan-2-yloxypentan-2-one
SMILESCCC(OC)C(=O)COC(C)C
InChIInChI=1S/C9H18O3/c1-5-9(11-4)8(10)6-12-7(2)3/h7,9H,5-6H2,1-4H3
InChIKeyZDCLXWLHLKNIHV-UHFFFAOYSA-N
XLogP1.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxypentan-2-one
CID 58979809
3-(tert-butylamino)-1-propan-2-yloxypentan-2-one
CID 134460862
methane;3-methoxypentan-2-one
CID 158529059
3-methoxyoct-7-yn-4-one
CID 116707208
ethyl 5-methoxy-4-oxoheptanoate
CID 116727981
2-propan-2-yloxyethyl 3-amino-2-methoxypropanoate
CID 106109479
ethyl 2-methoxybutanoate
CID 59767959
4-ethyl-1-propan-2-yloxyhexan-2-one
CID 105125435
ethyl 2-propan-2-yloxyacetate
CID 537908
5-methoxy-3,4-dimethylhept-3-en-2-one
CID 91349574
N-(3-ethylpentan-2-yl)-2-propan-2-yloxyacetamide
CID 112690212
3-ethoxy-1-propoxypentan-2-one
CID 116707576

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-propan-2-yloxypentan-2-one?
The IUPAC name of 3-methoxy-1-propan-2-yloxypentan-2-one (CID 116707377) is 3-methoxy-1-propan-2-yloxypentan-2-one.
What is the SMILES notation for 3-methoxy-1-propan-2-yloxypentan-2-one?
The canonical SMILES for 3-methoxy-1-propan-2-yloxypentan-2-one is CCC(OC)C(=O)COC(C)C.
What is the InChIKey of 3-methoxy-1-propan-2-yloxypentan-2-one?
The InChIKey is ZDCLXWLHLKNIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-9(11-4)8(10)6-12-7(2)3/h7,9H,5-6H2,1-4H3.
What are the key properties of 3-methoxy-1-propan-2-yloxypentan-2-one?
3-methoxy-1-propan-2-yloxypentan-2-one has a molecular weight of 174.24 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-propan-2-yloxypentan-2-one is sourced from PubChem (CID 116707377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).